[3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate

C21H24FN3O2 — CID 162648336

IUPAC[3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C21H24FN3O2/c1-3-25(2)21(26)27-18-6-4-5-15(11-18)13-23-10-9-16-14-24-20-12-17(22)7-8-19(16)20/h4-8,11-12,14,23-24H,3,9-10,13H2,1-2H3
InChIKeyQZGAFMLTVWNDEJ-UHFFFAOYSA-N
MW369.44 g/mol
LogP4.09
Rot. Bonds7

About [3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate

[3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate (PubChem CID 162648336) has the molecular formula C21H24FN3O2 and a molecular weight of 369.44 g/mol. Its IUPAC name is [3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate.

Molecular Properties

Compound Name[3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate
PubChem CID162648336
Molecular FormulaC21H24FN3O2
Molecular Weight369.44 g/mol
Exact Mass369.19
IUPAC Name[3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate
SMILESCCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1
InChIInChI=1S/C21H24FN3O2/c1-3-25(2)21(26)27-18-6-4-5-15(11-18)13-23-10-9-16-14-24-20-12-17(22)7-8-19(16)20/h4-8,11-12,14,23-24H,3,9-10,13H2,1-2H3
InChIKeyQZGAFMLTVWNDEJ-UHFFFAOYSA-N
XLogP4.09
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.44
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate?
The IUPAC name of [3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate (CID 162648336) is [3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate.
What is the SMILES notation for [3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate?
The canonical SMILES for [3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate is CCN(C)C(=O)Oc1cccc(CNCCc2c[nH]c3cc(F)ccc23)c1.
What is the InChIKey of [3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate?
The InChIKey is QZGAFMLTVWNDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN3O2/c1-3-25(2)21(26)27-18-6-4-5-15(11-18)13-23-10-9-16-14-24-20-12-17(22)7-8-19(16)20/h4-8,11-12,14,23-24H,3,9-10,13H2,1-2H3.
What are the key properties of [3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate?
[3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate has a molecular weight of 369.44 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[2-(6-fluoro-1H-indol-3-yl)ethylamino]methyl]phenyl] N-ethyl-N-methylcarbamate is sourced from PubChem (CID 162648336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).